[(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

C24H25F3N4O — CID 26661709

IUPAC[(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESC[C@@H]1CCc2[nH]c3ccc(C(=O)N4CCN(c5ccc(C(F)(F)F)cn5)CC4)cc3c2C1
InChIInChI=1S/C24H25F3N4O/c1-15-2-5-20-18(12-15)19-13-16(3-6-21(19)29-20)23(32)31-10-8-30(9-11-31)22-7-4-17(14-28-22)24(25,26)27/h3-4,6-7,13-15,29H,2,5,8-12H2,1H3/t15-/m1/s1
InChIKeyNEOZPMOTSQEXGL-OAHLLOKOSA-N
MW442.49 g/mol
LogP4.67
Rot. Bonds2

About [(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

[(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 26661709) has the molecular formula C24H25F3N4O and a molecular weight of 442.49 g/mol. Its IUPAC name is [(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
PubChem CID26661709
Molecular FormulaC24H25F3N4O
Molecular Weight442.49 g/mol
Exact Mass442.20
IUPAC Name[(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESC[C@@H]1CCc2[nH]c3ccc(C(=O)N4CCN(c5ccc(C(F)(F)F)cn5)CC4)cc3c2C1
InChIInChI=1S/C24H25F3N4O/c1-15-2-5-20-18(12-15)19-13-16(3-6-21(19)29-20)23(32)31-10-8-30(9-11-31)22-7-4-17(14-28-22)24(25,26)27/h3-4,6-7,13-15,29H,2,5,8-12H2,1H3/t15-/m1/s1
InChIKeyNEOZPMOTSQEXGL-OAHLLOKOSA-N
XLogP4.67
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

6,7,8,9-tetrahydro-5H-carbazol-3-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 55414599
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl]methanone
CID 51723997
1-[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]piperidine-4-carboxamide
CID 41099535
[4-(trifluoromethyl)phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 27809741
4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]benzamide
CID 30863667
3-methyl-5-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane-1-carbonyl]-1H-benzimidazol-2-one
CID 154857578
5-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-1H-pyridin-2-one
CID 175979853
4-ethyl-7-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-1H-quinoxaline-2,3-dione
CID 26661546
[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 99874418
(3,4-dimethylphenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 2815605
[3-(difluoromethoxy)-4-methoxyphenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 55740411
(3,4-difluorophenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 55414431

Frequently Asked Questions

What is the IUPAC name of [(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of [(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (CID 26661709) is [(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for [(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for [(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is C[C@@H]1CCc2[nH]c3ccc(C(=O)N4CCN(c5ccc(C(F)(F)F)cn5)CC4)cc3c2C1.
What is the InChIKey of [(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is NEOZPMOTSQEXGL-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H25F3N4O/c1-15-2-5-20-18(12-15)19-13-16(3-6-21(19)29-20)23(32)31-10-8-30(9-11-31)22-7-4-17(14-28-22)24(25,26)27/h3-4,6-7,13-15,29H,2,5,8-12H2,1H3/t15-/m1/s1.
What are the key properties of [(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
[(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 442.49 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 26661709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).